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GPCR

NameD(4) dopamine receptor
SpeciesHomo sapiens (Human)
GeneDRD4
SynonymD4 receptor
D4R
Dopamine D4 receptor
dopamine receptor 4
d(2C) dopamine receptor
DiseaseErectile dysfunction
Psychotic disorders
Schizophrenia
Length467
Amino acid sequenceMGNRSTADADGLLAGRGPAAGASAGASAGLAGQGAAALVGGVLLIGAVLAGNSLVCVSVATERALQTPTNSFIVSLAAADLLLALLVLPLFVYSEVQGGAWLLSPRLCDALMAMDVMLCTASIFNLCAISVDRFVAVAVPLRYNRQGGSRRQLLLIGATWLLSAAVAAPVLCGLNDVRGRDPAVCRLEDRDYVVYSSVCSFFLPCPLMLLLYWATFRGLQRWEVARRAKLHGRAPRRPSGPGPPSPTPPAPRLPQDPCGPDCAPPAPGLPRGPCGPDCAPAAPGLPPDPCGPDCAPPAPGLPQDPCGPDCAPPAPGLPRGPCGPDCAPPAPGLPQDPCGPDCAPPAPGLPPDPCGSNCAPPDAVRAAALPPQTPPQTRRRRRAKITGRERKAMRVLPVVVGAFLLCWTPFFVVHITQALCPACSVPPRLVSAVTWLGYVNSALNPVIYTVFNAEFRNVFRKALRACC
UniProtP21917
Protein Data Bank5wiv, 5wiu
GPCR-HGmod modelP21917
3D structure modelThis structure is from PDB ID 5wiv.
BioLiPBL0394824, BL0394826, BL0394825
Therapeutic Target DatabaseT24983
ChEMBLCHEMBL219
IUPHAR217
DrugBankBE0009376, BE0000389

Ligand

NameCHEMBL3318840
Molecular formulaC58H72Cl2F2N2O6
IUPAC namebis[4-(4-chlorophenyl)-1-[4-(4-fluorophenyl)-4-oxobutyl]piperidin-4-yl] hexadecanedioate
Molecular weight1002.12
Hydrogen bond acceptor10
Hydrogen bond donor0
XlogP14.6
SynonymsBDBM50053385
Inchi KeyAPANCCIVVADHPY-UHFFFAOYSA-N
Inchi IDInChI=1S/C58H72Cl2F2N2O6/c59-49-27-23-47(24-28-49)57(35-41-63(42-36-57)39-13-15-53(65)45-19-31-51(61)32-20-45)69-55(67)17-11-9-7-5-3-1-2-4-6-8-10-12-18-56(68)70-58(48-25-29-50(60)30-26-48)37-43-64(44-38-58)40-14-16-54(66)46-21-33-52(62)34-22-46/h19-34H,1-18,35-44H2
PubChem CID118709168
ChEMBLCHEMBL3318840
IUPHARN/A
BindingDB50053385
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Experimental Data

ParameterValueReferenceDatabase source
Ki1400.0 nMPMID25047579BindingDB,ChEMBL

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